SCHEMBL6853069

SCHEMBL6853069

CN1CCC(N2CCN(Cc3c(-c4ccccc4)nc4ccccc4c3C(=O)NCc3ccccc3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.66
TACR3 P29371 13/20 0.61
TACR2 P21452 9/20 0.61
OPRM1 P35372 4/20 0.61
KCNH2 Q12809 5/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5945344 0.89 TRPV4 (0.80) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL6853726 0.88 TACR3 (0.60) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL6853853 0.84 TRPV4 (0.62) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL5945431 0.82 TRPV4 (0.75) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL6397765 0.80 TRPV4 (0.71) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL6855974 0.78 TACR3 (0.70) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL6398523 0.78 TRPV4 (0.68) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL5203642 0.77 TRPV4 (0.73) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL5945397 0.76 TACR3 (0.77) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL5732536 0.76 TACR2 (0.71) TRPV4TACR3TACR2OPRM1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US claimed
CN-1407850-A Process for converting storage reserves of dicot seeds into compositions comprising one or more gene products UNICROP LTD (FI) 2003-04-02 CN disclosed
CN-1406225-A Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXO SMITHKLINE S P A (IT) 2003-03-26 CN disclosed